N-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

C116H127Br4Cl2N35O6 — CID 157106162

IUPACN-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
SMILESCC(C)C[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.CC(C)NC[C@@H]1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.NC[C@H]1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.N[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.N[C@@H]1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.O=C(Nc1c[nH]c2ncc(Br)c(N3CCC4(CCNC4)C3)c12)c1cccnc1
InChIInChI=1S/C22H26ClN5O.C21H25BrN6O.C20H21BrN6O.C18H19BrN6O.C18H19ClN6O.C17H17BrN6O/c1-14(2)9-15-5-4-8-28(13-15)20-17(23)11-25-21-19(20)18(12-26-21)27-22(29)16-6-3-7-24-10-16;1-13(2)24-8-14-5-7-28(12-14)19-16(22)10-25-20-18(19)17(11-26-20)27-21(29)15-4-3-6-23-9-15;21-14-9-24-18-16(17(14)27-7-4-20(12-27)3-6-23-11-20)15(10-25-18)26-19(28)13-2-1-5-22-8-13;19-13-8-22-17-15(16(13)25-5-3-11(6-20)10-25)14(9-23-17)24-18(26)12-2-1-4-21-7-12;19-13-8-22-17-15(16(13)25-6-2-4-12(20)10-25)14(9-23-17)24-18(26)11-3-1-5-21-7-11;18-12-7-21-16-14(15(12)24-5-3-11(19)9-24)13(8-22-16)23-17(25)10-2-1-4-20-6-10/h3,6-7,10-12,14-15H,4-5,8-9,13H2,1-2H3,(H,25,26)(H,27,29);3-4,6,9-11,13-14,24H,5,7-8,12H2,1-2H3,(H,25,26)(H,27,29);1-2,5,8-10,23H,3-4,6-7,11-12H2,(H,24,25)(H,26,28);1-2,4,7-9,11H,3,5-6,10,20H2,(H,22,23)(H,24,26);1,3,5,7-9,12H,2,4,6,10,20H2,(H,22,23)(H,24,26);1-2,4,6-8,11H,3,5,9,19H2,(H,21,22)(H,23,25)/t15-;14-;;11-;12-;11-/m00.111/s1
InChIKeyAGIBSHIAMIPLHC-DPIQTILQSA-N
MW2498.05 g/mol
LogP20.14
Rot. Bonds24

About N-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

N-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (PubChem CID 157106162) has the molecular formula C116H127Br4Cl2N35O6 and a molecular weight of 2498.05 g/mol. Its IUPAC name is N-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
PubChem CID157106162
Molecular FormulaC116H127Br4Cl2N35O6
Molecular Weight2498.05 g/mol
Exact Mass2491.68
IUPAC NameN-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
SMILESCC(C)C[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.CC(C)NC[C@@H]1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.NC[C@H]1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.N[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.N[C@@H]1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.O=C(Nc1c[nH]c2ncc(Br)c(N3CCC4(CCNC4)C3)c12)c1cccnc1
InChIInChI=1S/C22H26ClN5O.C21H25BrN6O.C20H21BrN6O.C18H19BrN6O.C18H19ClN6O.C17H17BrN6O/c1-14(2)9-15-5-4-8-28(13-15)20-17(23)11-25-21-19(20)18(12-26-21)27-22(29)16-6-3-7-24-10-16;1-13(2)24-8-14-5-7-28(12-14)19-16(22)10-25-20-18(19)17(11-26-20)27-21(29)15-4-3-6-23-9-15;21-14-9-24-18-16(17(14)27-7-4-20(12-27)3-6-23-11-20)15(10-25-18)26-19(28)13-2-1-5-22-8-13;19-13-8-22-17-15(16(13)25-5-3-11(6-20)10-25)14(9-23-17)24-18(26)12-2-1-4-21-7-12;19-13-8-22-17-15(16(13)25-6-2-4-12(20)10-25)14(9-23-17)24-18(26)11-3-1-5-21-7-11;18-12-7-21-16-14(15(12)24-5-3-11(19)9-24)13(8-22-16)23-17(25)10-2-1-4-20-6-10/h3,6-7,10-12,14-15H,4-5,8-9,13H2,1-2H3,(H,25,26)(H,27,29);3-4,6,9-11,13-14,24H,5,7-8,12H2,1-2H3,(H,25,26)(H,27,29);1-2,5,8-10,23H,3-4,6-7,11-12H2,(H,24,25)(H,26,28);1-2,4,7-9,11H,3,5-6,10,20H2,(H,22,23)(H,24,26);1,3,5,7-9,12H,2,4,6,10,20H2,(H,22,23)(H,24,26);1-2,4,6-8,11H,3,5,9,19H2,(H,21,22)(H,23,25)/t15-;14-;;11-;12-;11-/m00.111/s1
InChIKeyAGIBSHIAMIPLHC-DPIQTILQSA-N
XLogP20.14
TPSA545.58 Ų
H-Bond Donors17
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002498.05
LogP ≤ 520.14
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1029

Analyze N-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-ethyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 157141055
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 157628126
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylpropanamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 157957750
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propan-2-ylpyrrolidine-2-carboxamide;2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;(2S)-1-[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;molecular hydrogen
CID 158360343
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-methylpyrazole-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methylpyridine-2-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide
CID 160167958
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-3-fluorobenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methylbenzamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylpyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-2-carboxamide;N-[4-(3-aminopyridin-1-ium-1-yl)-5-bromo-3a,4,5,6,7,7a-hexahydro-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-chlorobenzamide
CID 160508465
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3R)-3-ethylpiperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 160705464
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[[2-methyl-1-oxo-1-(3,3,3-trifluoropropylamino)propan-2-yl]amino]pyrimidine-5-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-prop-2-ynylbutanamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-prop-2-ynylpyrrolidine-2-carboxamide;molecular hydrogen
CID 161049990
N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide
CID 59627021
N-[5-bromo-4-[4-[2-[(2S)-pyrrolidin-2-yl]acetyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;hydrochloride
CID 68781812
N-[5-bromo-4-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-chloropyridine-3-carboxamide;hydrochloride
CID 68781815
[5-chloro-6-[4-(7-methylpurin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 69906579

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (CID 157106162) is N-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is CC(C)C[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.CC(C)NC[C@@H]1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.NC[C@H]1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.N[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.N[C@@H]1CCN(c2c(Br)cnc3[nH]cc(NC(=O)c4cccnc4)c23)C1.O=C(Nc1c[nH]c2ncc(Br)c(N3CCC4(CCNC4)C3)c12)c1cccnc1.
What is the InChIKey of N-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The InChIKey is AGIBSHIAMIPLHC-DPIQTILQSA-N. The full InChI is InChI=1S/C22H26ClN5O.C21H25BrN6O.C20H21BrN6O.C18H19BrN6O.C18H19ClN6O.C17H17BrN6O/c1-14(2)9-15-5-4-8-28(13-15)20-17(23)11-25-21-19(20)18(12-26-21)27-22(29)16-6-3-7-24-10-16;1-13(2)24-8-14-5-7-28(12-14)19-16(22)10-25-20-18(19)17(11-26-20)27-21(29)15-4-3-6-23-9-15;21-14-9-24-18-16(17(14)27-7-4-20(12-27)3-6-23-11-20)15(10-25-18)26-19(28)13-2-1-5-22-8-13;19-13-8-22-17-15(16(13)25-5-3-11(6-20)10-25)14(9-23-17)24-18(26)12-2-1-4-21-7-12;19-13-8-22-17-15(16(13)25-6-2-4-12(20)10-25)14(9-23-17)24-18(26)11-3-1-5-21-7-11;18-12-7-21-16-14(15(12)24-5-3-11(19)9-24)13(8-22-16)23-17(25)10-2-1-4-20-6-10/h3,6-7,10-12,14-15H,4-5,8-9,13H2,1-2H3,(H,25,26)(H,27,29);3-4,6,9-11,13-14,24H,5,7-8,12H2,1-2H3,(H,25,26)(H,27,29);1-2,5,8-10,23H,3-4,6-7,11-12H2,(H,24,25)(H,26,28);1-2,4,7-9,11H,3,5-6,10,20H2,(H,22,23)(H,24,26);1,3,5,7-9,12H,2,4,6,10,20H2,(H,22,23)(H,24,26);1-2,4,6-8,11H,3,5,9,19H2,(H,21,22)(H,23,25)/t15-;14-;;11-;12-;11-/m00.111/s1.
What are the key properties of N-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
N-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide has a molecular weight of 2498.05 g/mol, XLogP of 20.14, 24 rotatable bonds, 17 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[4-[(3R)-3-aminopyrrolidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-(2,7-diazaspiro[4.4]nonan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-bromo-4-[(3S)-3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide;N-[5-chloro-4-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 157106162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).